CID 53445182

4-(methoxycarbonyl)-1h-indole-6-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC(=O)C1=C2C=CNC2=CC(=C1)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-16-11(15)8-4-6(10(13)14)5-9-7(8)2-3-12-9/h2-5,12H,1H3,(H,13,14)
InChIKey
ULQRLBUNOLDUKN-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.05316 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 144.0
[M+Na]+ 242.04238 153.6
[M-H]- 218.04588 145.6
[M+NH4]+ 237.08698 162.7
[M+K]+ 258.01632 150.6
[M+H-H2O]+ 202.05042 138.3
[M+HCOO]- 264.05136 164.9
[M+CH3COO]- 278.06701 182.0
[M+Na-2H]- 240.02783 148.2
[M]+ 219.05261 146.2
[M]- 219.05371 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe